N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide

C17H25NO2 — CID 21499339

IUPACN-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCc1cc(CCC)c(O)c(CCC)c1
InChIInChI=1S/C17H25NO2/c1-5-7-14-9-13(11-18-17(20)12(3)4)10-15(8-6-2)16(14)19/h9-10,19H,3,5-8,11H2,1-2,4H3,(H,18,20)
InChIKeyQPOGENKPVLBGRO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.49
Rot. Bonds7

About N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide

N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide (PubChem CID 21499339) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide
PubChem CID21499339
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCc1cc(CCC)c(O)c(CCC)c1
InChIInChI=1S/C17H25NO2/c1-5-7-14-9-13(11-18-17(20)12(3)4)10-15(8-6-2)16(14)19/h9-10,19H,3,5-8,11H2,1-2,4H3,(H,18,20)
InChIKeyQPOGENKPVLBGRO-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide?
The IUPAC name of N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide (CID 21499339) is N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCc1cc(CCC)c(O)c(CCC)c1.
What is the InChIKey of N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide?
The InChIKey is QPOGENKPVLBGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-7-14-9-13(11-18-17(20)12(3)4)10-15(8-6-2)16(14)19/h9-10,19H,3,5-8,11H2,1-2,4H3,(H,18,20).
What are the key properties of N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide?
N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide has a molecular weight of 275.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 21499339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).